6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C10H11N7O2 — CID 23481340

IUPAC6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1ncnc(NCc2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N7O2/c11-16-10-8(17(18)19)9(14-6-15-10)13-5-7-2-1-3-12-4-7/h1-4,6H,5,11H2,(H2,13,14,15,16)
InChIKeyUBIPGTMQMAYOEP-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.68
Rot. Bonds5

About 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 23481340) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID23481340
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1ncnc(NCc2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N7O2/c11-16-10-8(17(18)19)9(14-6-15-10)13-5-7-2-1-3-12-4-7/h1-4,6H,5,11H2,(H2,13,14,15,16)
InChIKeyUBIPGTMQMAYOEP-UHFFFAOYSA-N
XLogP0.68
TPSA131.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-[(4-fluorophenyl)methyl]-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481399
6-N-(3-methylbutyl)-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481384
4-N,4-N-dimethyl-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481243
4-N-(4-iodophenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481325
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
5-nitro-6-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 23481398
4-N-(3-chlorophenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481319
4-N-(2,3-dichlorophenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481306
4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23478866
2-(4-nitrophenyl)-N'-[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]acetohydrazide
CID 23481366
6-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481245

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 23481340) is 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is NNc1ncnc(NCc2cccnc2)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is UBIPGTMQMAYOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c11-16-10-8(17(18)19)9(14-6-15-10)13-5-7-2-1-3-12-4-7/h1-4,6H,5,11H2,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 261.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 23481340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).